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首页> 外文期刊>Journal of Crystallization Process and Technology >Synthesis, Spectral Characterization and Crystal Structure of 2-((3-Aminophenyl)(phenyl)methylene) hydrazinecarboxamide
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Synthesis, Spectral Characterization and Crystal Structure of 2-((3-Aminophenyl)(phenyl)methylene) hydrazinecarboxamide

机译:2-((3-氨基苯基)(苯基)亚甲基)肼甲酰胺的合成,光谱表征和晶体结构

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A benzophenone substituted semicarbazone, 2-((3-aminophenyl)(phenyl)methylene)hydrazinecarboxamide (APHC) had been synthesized in good yield by the condensation of 3-aminobenzophenone and semicarbazide hydrochloride. The title compound was elucidated by elemental analysis (CHN), FTIR, 1H and 13C-NMR, 1H-1H COSY, TGA and single crystal X-ray diffraction. The compound crystallized in the orthorhombic crystal system with space group of Pccn, Z = 32, V = 10375.1 (2) ?3, and lattice constants a = 12.3855 (1) ?, b = 34.5746 (5) ?, c = 24.2283 (3) ??and γ = β = α = 90°. The molecular view shows that APHC contains four molecules of each species in the asymmetric unit, with similar geometries. However, there is no intramolecular hydrogen bond found in the crystal structure of the synthesized compound. X-ray diffraction also reveals that the molecule of the semicarbazone exists as a Z isomer with respect to the C=N.
机译:通过3-氨基二苯甲酮与盐酸氨基脲的缩合反应,高收率地合成了二苯甲酮取代的半咔唑2-(((3-氨基苯基)(苯基)亚甲基)肼甲酰胺(APHC)。通过元素分析(CHN),FTIR,1H和13C-NMR,1H-1H COSY,TGA和单晶X射线衍射阐明了标题化合物。在正交晶体系统中结晶的化合物,其空间群为Pccn,Z = 32,V = 10375.1(2)α3,晶格常数a = 12.3855(1)α,b = 34.5746(5)α,c = 24.2283( 3)γ=β=α= 90°。分子视图显示,APHC在不对称单元中包含每个物种的四个分子,并且具有相似的几何形状。但是,在合成化合物的晶体结构中没有发现分子内氢键。 X射线衍射还揭示了相对于C = N,半卡巴zone的分子以Z异构体的形式存在。

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